[(2S)-1-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]piperidin-1-ium-2-yl]methylazanium

Systemtic Name: [(2S)-1-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]piperidin-1-ium-2-yl]methylazanium Openeye Name: [(2S)-1-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]piperidin-1-ium-2-yl]methylammonium CAS Name: [(2S)-1-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-2-piperidin-1-iumyl]methylammonium IUPAC Name: [(2S)-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-ium-2-yl]methylazanium Traditional Name: [(2S)-1-[2-keto-2-(4-methylpiperazino)ethyl]piperidin-1-ium-2-yl]methylammonium Formula: C13H28N4O+2 MolecularWeight: 256.38762

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C[NH+]2CCCCC2C[NH3+]

Isomeric SMILES

CN1CCN(CC1)C(=O)C[NH+]2CCCC[C@H]2C[NH3+]

InChI

InChI=1S/C13H26N4O/c1-15-6-8-16(9-7-15)13(18)11-17-5-3-2-4-12(17)10-14/h12H,2-11,14H2,1H3/p+2/t12-/m0/s1